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CHEBI:192353 - anisotanol C

ChEBI IDCHEBI:192353
ChEBI Nameanisotanol C
Stars
DefinitionA norsesquiterpenoid with formula C14H22O3. It is isolated from Anisodus tanguticus and displays antiangiogenic activity by inhibiting the viability, migration, and tube formation in HUVECs.
Last Modified7 June 2022
SubmitterAdnan
DownloadsMolfile
FormulaC14H22O3
Net Charge0
Average Mass238.327
Monoisotopic Mass238.15689
SMILES[H][C@@]1(C(=C)CO)C[C@]2([H])[C@@]3([H])C[C@@H](O)[C@H](O)[C@@H](C)[C@]32C1
InChIInChI=1S/C14H22O3/c1-7(6-15)9-3-10-11-4-12(16)13(17)8(2)14(10,11)5-9/h8-13,15-17H,1,3-6H2,2H3/t8-,9-,10-,11-,12-,13-,14+/m1/s1
InChIKeyAIZWGRSMWNJPSB-UAZQNFISSA-N
Species of MetaboliteComponentSourceComments
Anisodus tanguticus (ncbitaxon:243964) - DOI (10.1002/cjoc.202100524)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
ChEBI Ontology
Outgoing Relation(s)
anisotanol C (CHEBI:192353) has role angiogenesis inhibitor (CHEBI:48422)
anisotanol C (CHEBI:192353) has role plant metabolite (CHEBI:76924)
anisotanol C (CHEBI:192353) is a carbotricyclic compound (CHEBI:38032)
anisotanol C (CHEBI:192353) is a primary allylic alcohol (CHEBI:134394)
anisotanol C (CHEBI:192353) is a sesquiterpenoid (CHEBI:26658)
anisotanol C (CHEBI:192353) is a triol (CHEBI:27136)
IUPAC Name 
(2R,3aR,3bR,5R,6R,7S,7aS)-2-(3-hydroxyprop-1-en-2-yl)-7-methyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzene-5,6-diol